Abstract Despite the significant improvements that self-supervised representation learning has led to when learning from unlabeled data, no methods have been developed that explain what influences the learned representation. We address this need through our proposed approach, RELAX, which is the first approach for attribution-based explanations of representations. Our approach can also model the uncertainty in its explanations, which is essential to produce trustworthy explanations. RELAX explains representations by measuring similarities in the representation space between an input and masked out versions of itself, providing intuitive explanations that significantly outperform the gradient-based baselines. We provide theoretical interpretations of RELAX and conduct a novel analysis of feature extractors trained using supervised and unsupervised learning, providing insights into different learning strategies. Moreover, we conduct a user study to assess how well the proposed approach aligns with human intuition and show that the proposed method outperforms the baselines in both the quantitative and human evaluation studies. Finally, we illustrate the usability of RELAX in several use cases and highlight that incorporating uncertainty can be essential for providing faithful explanations, taking a crucial step towards explaining representations.

Multivariate time series often contain missing values for reasons such as failures in data collection mechanisms. Since these missing values can complicate the analysis of time series data, imputation techniques are typically used to deal with this issue. However, the quality of the imputation directly affects the performance of downstream tasks. In this paper, we propose a selective imputation method that identifies a subset of timesteps with missing values to impute in a multivariate time series dataset. This selection, which will result in shorter and simpler time series, is based on both reducing the uncertainty of the imputations and representing the original time series as good as possible. In particular, the method uses multi-objective optimization techniques to select the optimal set of points, and in this selection process, we leverage the beneficial properties of the Multi-task Gaussian Process (MGP). The method is applied to different datasets to analyze the quality of the imputations and the performance obtained in downstream tasks, such as classification or anomaly detection. The results show that much shorter and simpler time series are able to maintain or even improve both the quality of the imputations and the performance of the downstream tasks.

The lack of labeled data is a key challenge for learning useful representation from time series data. However, an unsupervised representation framework that is capable of producing high quality representations could be of great value. It is key to enabling transfer learning, which is especially beneficial for medical applications, where there is an abundance of data but labeling is costly and time consuming. We propose an unsupervised contrastive learning framework that is motivated from the perspective of label smoothing. The proposed approach uses a novel contrastive loss that naturally exploits a data augmentation scheme in which new samples are generated by mixing two data samples with a mixing component. The task in the proposed framework is to predict the mixing component, which is utilized as soft targets in the loss function. Experiments demonstrate the framework’s superior performance compared to other representation learning approaches on both univariate and multivariate time series and illustrate its benefits for transfer learning for clinical time series.

Surgical site infections are hospital-acquired infections resulting in severe risk for patients and significantly increased costs for healthcare providers. In this work, we show how to leverage irregularly sampled preoperative blood tests to predict, on the day of surgery, a future surgical site infection and its severity. Our dataset is extracted from the electronic health records of patients who underwent gastrointestinal surgery and developed either deep, shallow or no infection. We represent the patients using the concentrations of fourteen common blood components collected over the four weeks preceding the surgery partitioned into six time windows. A gradient boosting based classifier trained on our new set of features reports an AUROC of 0.991 for predicting a postoperative infection and and AUROC of 0.937 for classifying the severity of the infection. Further analyses support the clinical relevance of our approach as the most important features describe the nutritional status and the liver function over the two weeks prior to surgery.

The time series cluster kernel (TCK) provides a powerful tool for analysing multivariate time series subject to missing data. TCK is designed using an ensemble learning approach in which Bayesian mixture models form the base models. Because of the Bayesian approach, TCK can naturally deal with missing values without resorting to imputation and the ensemble strategy ensures robustness to hyperparameters, making it particularly well suited for unsupervised learning. However, TCK assumes missing at random and that the underlying missingness mechanism is ignorable, i.e. uninformative, an assumption that does not hold in many real-world applications, such as e.g. medicine. To overcome this limitation, we present a kernel capable of exploiting the potentially rich information in the missing values and patterns, as well as the information from the observed data. In our approach, we create a representation of the missing pattern, which is incorporated into mixed mode mixture models in such a way that the information provided by the missing patterns is effectively exploited. Moreover, we also propose a semi-supervised kernel, capable of taking advantage of incomplete label information to learn more accurate similarities. Experiments on benchmark data, as well as a real-world case study of patients described by longitudinal electronic health record data who potentially suffer from hospital-acquired infections, demonstrate the effectiveness of the proposed methods.

Deep learning-based support systems have demonstrated encouraging results in numerous clinical applications involving the processing of time series data. While such systems often are very accurate, they have no inherent mechanism for explaining what influenced the predictions, which is critical for clinical tasks. However, existing explainability techniques lack an important component for trustworthy and reliable decision support, namely a notion of uncertainty. In this paper, we address this lack of uncertainty by proposing a deep ensemble approach where a collection of DNNs are trained independently. A measure of uncertainty in the relevance scores is computed by taking the standard deviation across the relevance scores produced by each model in the ensemble, which in turn is used to make the explanations more reliable. The class activation mapping method is used to assign a relevance score for each time step in the time series. Results demonstrate that the proposed ensemble is more accurate in locating relevant time steps and is more consistent across random initializations, thus making the model more trustworthy. The proposed methodology paves the way for constructing trustworthy and dependable support systems for processing clinical time series for healthcare related tasks.

Noisy labeled data represent a rich source of information that often are easily accessible and cheap to obtain, but label noise might also have many negative consequences if not accounted for. How to fully utilize noisy labels has been studied extensively within the framework of standard supervised machine learning over a period of several decades. However, very little research has been conducted on solving the challenge posed by noisy labels in non-standard settings. This includes situations where only a fraction of the samples are labeled (semi-supervised) and each high-dimensional sample is associated with multiple labels. In this work, we present a novel semi-supervised and multi-label dimensionality reduction method that effectively utilizes information from both noisy multi-labels and unlabeled data. With the proposed Noisy multi-label semi-supervised dimensionality reduction (NMLSDR) method, the noisy multi-labels are denoised and unlabeled data are labeled simultaneously via a specially designed label propagation algorithm. NMLSDR then learns a projection matrix for reducing the dimensionality by maximizing the dependence between the enlarged and denoised multi-label space and the features in the projected space. Extensive experiments on synthetic data, benchmark datasets, as well as a real-world case study, demonstrate the effectiveness of the proposed algorithm and show that it outperforms state-of-the-art multi-label feature extraction algorithms.